SCHEMBL505167

SCHEMBL505167

N#Cc1cccc(C(=O)NC2CN(C(=O)O)CC2O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
NAMPT P43490 2/20 0.44
GSK3B P49841 2/20 0.44
EPHX2 P34913 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
ADRA2A P08913 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
S1PR3 Q99500 1/20 0.40
RORC P51449 2/20 0.40
KAT6A Q92794 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
USP30 Q70CQ3 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL505031 0.83 USP30 (0.50) GRM5NAMPTUSP30
SCHEMBL504851 0.79 GRM5 (0.49) GRM5NAMPTGSK3BEPHX2GPR139
SCHEMBL19896526 0.78 USP30 (0.57) GRM5NAMPTADRA2AMCHR1L3MBTL1
SCHEMBL19896524 0.78 USP30 (0.57) GRM5NAMPTADRA2AMCHR1L3MBTL1
SCHEMBL10285712 0.75 GRM5 (0.47) GRM5
SCHEMBL19664885 0.74 NPC1 (0.47) MCHR1USP30
SCHEMBL22394655 0.74 GAA (0.43) L3MBTL1USP30
SCHEMBL12426779 0.73 HTR4 (0.43)
SCHEMBL31171332 0.73 GRM5 (0.57) GRM5ADRA2AMCHR1L3MBTL1
SCHEMBL26407280 0.71 RAB9A (0.69) GRM5ADRA2AMCHR1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885NAMPT 2026/4885GSK3B 3185/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.